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(Q104971087)
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English
7beta,8alpha-Dihydroxy-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-(hydroxymethyl)-3a-methyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-azulene-4,5-diol
1 reference
based on heuristic
inferred from SMILES
mass
254.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₆O₃
0 references
canonical SMILES
OCC1=CC2C(CCC2(C)C(O)C(O)C1)C(C)C
0 references
isomeric SMILES
CC(C)[C@@H]1CC[C@@]2(C)[C@H]1C=C(CO)C[C@@H](O)[C@@H]2O
0 references
found in taxon
Jatropha neopauciflora
1 reference
stated in
Uncommon Sesquiterpenoids and New Triterpenoids fromJatropha neopauciflora (Euphorbiaceae)
Identifiers
InChI
InChI=1S/C15H26O3/c1-9(2)11-4-5-15(3)12(11)6-10(8-16)7-13(17)14(15)18/h6,9,11-14,16-18H,4-5,7-8H2,1-3H3/t11-,12-,13+,14-,15-/m0/s1
0 references
InChIKey
CVYLVSBETDOPNJ-RMEBNNNOSA-N
0 references
PubChem CID
101394431
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CVYLVSBETDOPNJ-RMEBNNNOSA-N
UniChem compound ID
100902604
1 reference
stated in
UniChem
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